%chk=000208430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208430

0 1
O -2.523503 -1.367350 1.052915
O 2.002896 -2.122827 1.261463
N -2.131724 1.054088 -0.607727
N 1.269045 -0.283861 0.064583
N -0.283952 -1.752041 1.178063
C -1.087436 0.181270 -0.106252
C 0.209186 0.527217 -0.401932
C -1.416449 -0.987325 0.719914
C 1.064401 -1.455129 0.879990
C -2.826730 0.499324 -1.810878
C -3.081226 1.507170 0.461360
C 2.653578 0.054411 -0.264156
C 0.590761 1.717255 -1.211588
C -0.524308 -2.938988 2.045050
C 3.394137 0.847102 0.624281
C 3.208234 -0.425732 -1.459161
C -3.884975 -0.543821 -1.576381
C -2.390178 2.481488 1.375507
C 4.714438 1.167718 0.297371
C 4.530043 -0.092835 -1.767167
C 5.280303 0.703247 -0.894905
C -4.825139 -0.828428 -2.474340
C -2.891236 2.839970 2.555622
H -3.261218 1.382280 -2.338932
H -2.052253 0.082351 -2.497164
H -3.940737 2.016486 -0.034573
H -3.517820 0.656507 1.040419
H 1.314578 2.363073 -0.690890
H -0.291440 2.347915 -1.439515
H 1.037451 1.432084 -2.176229
H -1.565657 -3.290410 1.914920
H -0.374134 -2.676433 3.105733
H 0.169389 -3.757046 1.783420
H 2.954076 1.192010 1.559184
H 2.625572 -1.059148 -2.126397
H -3.825625 -1.071339 -0.616438
H -1.450767 2.889708 0.997085
H 5.306223 1.777754 0.980049
H 4.978620 -0.462537 -2.689311
H 6.311172 0.955456 -1.140941
H -5.576719 -1.588658 -2.315546
H -4.922449 -0.335639 -3.429665
H -2.410993 3.551765 3.210011
H -3.813434 2.452297 2.962947


%chk=000208430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208430

0 1
O -2.554020 -1.329382 1.164772
O 2.068222 -1.794747 1.724833
N -2.190388 0.946789 -0.624517
N 1.275841 -0.191341 0.192086
N -0.240343 -1.490108 1.505980
C -1.111794 0.210465 -0.041432
C 0.203826 0.542571 -0.355667
C -1.391080 -0.899210 0.886322
C 1.096843 -1.197200 1.185272
C -2.640733 0.534222 -1.983714
C -3.264424 1.442300 0.283031
C 2.647492 0.055078 -0.237504
C 0.530332 1.704437 -1.259324
C -0.444120 -2.556802 2.512479
C 3.560538 0.670745 0.646222
C 3.050449 -0.335935 -1.533623
C -3.662083 -0.595530 -1.989545
C -2.703373 2.356730 1.352180
C 4.885040 0.910839 0.220632
C 4.375256 -0.087612 -1.956282
C 5.293353 0.538268 -1.081707
C -4.847052 -0.544547 -2.647236
C -2.909835 2.191270 2.682563
H -3.064720 1.415175 -2.506714
H -1.738723 0.223397 -2.546538
H -3.965012 2.015218 -0.358595
H -3.835669 0.614187 0.745770
H 1.389316 2.280368 -0.874389
H -0.366584 2.341565 -1.317405
H 0.789782 1.382004 -2.284886
H -1.528982 -2.694268 2.624977
H 0.015050 -2.260768 3.469861
H 0.032028 -3.492367 2.175764
H 3.238284 0.940182 1.656568
H 2.338749 -0.841969 -2.194869
H -3.399409 -1.479149 -1.391003
H -2.102429 3.204309 0.987339
H 5.597363 1.383332 0.905284
H 4.690836 -0.391569 -2.960132
H 6.321840 0.725611 -1.408907
H -5.554396 -1.381186 -2.626976
H -5.145599 0.339047 -3.227547
H -2.506736 2.894208 3.420734
H -3.488935 1.341769 3.065642


